{"id":"W2039754775","doi":"10.1021/ja021452+","title":"Side Chain Assignments of Ile δ1 Methyl Groups in High Molecular Weight Proteins:  an Application to a 46 ns Tumbling Molecule","year":2003,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Protonation; Molecule; Chemical shift; Side chain; Stereochemistry; Pulse sequence; Spectral line; Crystallography; Ion; Physical chemistry; Nuclear magnetic resonance; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003549533,0.0001497567,0.0002932635,0.00002309306,0.00003247186,0.00001045799,0.0004010519,0.00009666861,0.000001826921],"category_scores_gemma":[0.0001537383,0.0001134078,0.0002638295,0.0003325546,0.0001316897,0.000007800938,0.0001012733,0.0002382042,3.189974e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008019502,"about_ca_system_score_gemma":0.00009088343,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004760606,"about_ca_topic_score_gemma":0.000002396887,"domain_scores_codex":[0.9987586,0.0001208076,0.0003953327,0.0002187239,0.0002840642,0.0002225193],"domain_scores_gemma":[0.9988986,0.00001281627,0.0005266413,0.0003426432,0.0001051273,0.0001142112],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0000550079,0.0001068439,0.0008237449,0.00001010236,0.00006103086,0.000001289423,0.0001043814,0.0004576379,0.9972503,0.0001057159,0.00005326893,0.0009706367],"study_design_scores_gemma":[0.0004279469,0.000217888,0.000704194,0.00002095316,0.00002533702,0.00001724723,0.0001483587,0.0001699301,0.9966162,0.001133264,0.0003815918,0.0001371204],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9531031,0.0001410157,0.04615946,0.0002517345,0.00003287973,0.0002534133,0.000006009128,0.000002727246,0.0000496904],"genre_scores_gemma":[0.969635,0.00003251402,0.02936359,0.0008303716,0.00008154305,0.00002161905,0.000006123827,0.00002058647,0.000008717901],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01679588,"threshold_uncertainty_score":0.4624637,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00395263480328175,"score_gpt":0.2406898288562137,"score_spread":0.2367371940529319,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}